rfdiffusionlisted

# RFdiffusion Backbone Generation ## Prerequisites | Requirement | Minimum | Recommended | |-------------|---------|-------------| | Python | 3.9+ | 3.10 | | CUDA | 11.7+ | 12.0+ | | GPU VRAM | 16GB | 24GB (A10G) | | RAM | 16GB | 32GB | ## How to run > **First time?** See [Installation Guide](../../docs/installation.md) to set up Modal and biomodals. ### Option 1: Modal (recommended) ```bash # Clone biomodals git clone https://github.com/hgbrian/biomodals && cd biomodals # Basic binder design modal run modal_rfdiffusion.py \ --pdb target.pdb \ --contigs "A1-150/0 70-100" \ --hotspot "A45,A67,A89" \ --num-designs 100 # With custom GPU/timeout GPU=A100 TIMEOUT=60 modal run modal_rfdiffusion.py \ --pdb target.pdb \ --contigs "A1-150/0 70-100" \ --num-designs 100 ``` **GPU**: A10G (24GB) | **Timeout**: 30min default ### Option 2: Local installation ```bash # Clone and install git clone https://github.com/RosettaCommons/RFdiffusion.git cd RFdiffusion && pip install -e . # Download weights wget http://files.ipd.uw.edu/pub/RFdiffusion/models/Complex_base_ckpt.pt # Run inference python run_inference.py \ inference.input_pdb=target.pdb \ contigmap.contigs=[A1-150/0 70-100] \ ppi.hotspot_res=[A45,A67,A89] \ inference.num_designs=100 ``` ## Config Schema (Hydra) ### Contigmap Syntax ```bash # De novo single chain (50-100 residues) contigmap.contigs=[50-100] # Binder + target (A = target chain, fixed with /0) contigmap.contigs=[A1-150/0 70-100] # Moti